1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C10H13BrF3NOS — CID 63826948

IUPAC1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H13BrF3NOS/c1-7(8-2-3-9(11)17-8)15-4-5-16-6-10(12,13)14/h2-3,7,15H,4-6H2,1H3
InChIKeyPPIRLRVPADFMPK-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.74
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 63826948) has the molecular formula C10H13BrF3NOS and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID63826948
Molecular FormulaC10H13BrF3NOS
Molecular Weight332.19 g/mol
Exact Mass330.99
IUPAC Name1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H13BrF3NOS/c1-7(8-2-3-9(11)17-8)15-4-5-16-6-10(12,13)14/h2-3,7,15H,4-6H2,1H3
InChIKeyPPIRLRVPADFMPK-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 63826948) is 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is PPIRLRVPADFMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NOS/c1-7(8-2-3-9(11)17-8)15-4-5-16-6-10(12,13)14/h2-3,7,15H,4-6H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 332.19 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 63826948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).